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6-(BENZYLOXY)NICOTINALDEHYDE is a chemical compound with the molecular formula C16H15NO2, belonging to the class of nicotinaldehyde derivatives. It features a benzyl group attached to the oxygen atom of the aldehyde functional group, which endows it with unique chemical and biological properties. 6-(BENZYLOXY)NICOTINALDEHYDE is widely utilized in organic synthesis and medicinal chemistry as a versatile building block for the preparation of pharmaceuticals and bioactive molecules.

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  • 635712-99-1 Structure
  • Basic information

    1. Product Name: 6-(BENZYLOXY)NICOTINALDEHYDE
    2. Synonyms: 6-(BENZYLOXY)NICOTINALDEHYDE
    3. CAS NO:635712-99-1
    4. Molecular Formula: C13H11NO2
    5. Molecular Weight: 213.23
    6. EINECS: 604-604-1
    7. Product Categories: N/A
    8. Mol File: 635712-99-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 6-(BENZYLOXY)NICOTINALDEHYDE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 6-(BENZYLOXY)NICOTINALDEHYDE(635712-99-1)
    11. EPA Substance Registry System: 6-(BENZYLOXY)NICOTINALDEHYDE(635712-99-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 635712-99-1(Hazardous Substances Data)

635712-99-1 Usage

Uses

Used in Organic Synthesis:
6-(BENZYLOXY)NICOTINALDEHYDE is used as a key intermediate in organic synthesis for the preparation of various complex organic molecules. Its unique structure allows for selective functionalization and modification, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 6-(BENZYLOXY)NICOTINALDEHYDE is employed as a building block for the development of novel pharmaceuticals and bioactive molecules. Its structural features enable the design and synthesis of potential drug candidates with improved pharmacological properties, such as enhanced potency, selectivity, and bioavailability.
Used in Biological Research:
6-(BENZYLOXY)NICOTINALDEHYDE has been studied for its potential biological activities, including its role as a chemoattractant for leukocytes. This property makes it a valuable tool in the investigation of immune cell migration and the development of therapeutic agents targeting inflammatory processes.
Used in Anti-inflammatory Applications:
Due to its potential anti-inflammatory properties, 6-(BENZYLOXY)NICOTINALDEHYDE is being explored as a therapeutic agent for the treatment of various inflammatory disorders. Its ability to modulate immune cell function and reduce inflammation may offer new avenues for the management of chronic inflammatory conditions.
Used in Coordination Chemistry:
6-(BENZYLOXY)NICOTINALDEHYDE has been investigated for its potential use as a ligand in coordination chemistry. Its ability to form stable complexes with metal ions makes it a promising candidate for the development of new coordination compounds with potential applications in catalysis, materials science, and sensing.
Used in Heterocyclic Compound Synthesis:
As a precursor for the synthesis of diverse heterocyclic compounds, 6-(BENZYLOXY)NICOTINALDEHYDE plays a crucial role in the preparation of various heterocyclic scaffolds with potential applications in pharmaceuticals, agrochemicals, and other areas of chemistry. Its versatility in forming heterocyclic rings makes it an attractive starting material for the development of novel heterocyclic compounds with unique biological activities.

Check Digit Verification of cas no

The CAS Registry Mumber 635712-99-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,3,5,7,1 and 2 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 635712-99:
(8*6)+(7*3)+(6*5)+(5*7)+(4*1)+(3*2)+(2*9)+(1*9)=171
171 % 10 = 1
So 635712-99-1 is a valid CAS Registry Number.

635712-99-1Relevant articles and documents

HETEROARYL SUBSTITUTED BETA-HYDROXYETHYLAMINES FOR USE IN TREATING HYPERGLYCAEMIA

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Page/Page column 49, (2019/04/11)

There is herein provided a compound of formula (I) or a pharmaceutically acceptable salt thereof,wherein the ring containing Q1to Q5, and the groups R1, R2 and R3, have meanings as provided in the description.

First identification of boronic species as novel potential inhibitors of the Staphylococcus aureus NorA efflux pump

Fontaine, Fanny,Hequet, Arnaud,Voisin-Chiret, Anne-Sophie,Bouillon, Alexandre,Lesnard, Aurélien,Cresteil, Thierry,Jolivalt, Claude,Rault, Sylvain

, p. 2536 - 2548 (2014/04/17)

Overexpression of efflux pumps is an important mechanism of bacterial resistance that results in the extrusion of antimicrobial agents outside the bacterial cell. Inhibition of such pumps appears to be a promising strategy that could restore the potency of existing antibiotics. The NorA efflux pump of Staphylococcus aureus confers resistance to a wide range of unrelated substrates, such as hydrophilic fluoroquinolones, leading to a multidrug-resistance phenotype. In this work, approximately 150 heterocyclic boronic species were evaluated for their activity against susceptible and resistant strains of S. aureus. Twenty-four hit compounds, although inactive when tested alone, were found to potentiate ciprofloxacin activity by a 4-fold increase at concentrations ranging from 0.5 to 8 μg/mL against S. aureus 1199B, which overexpresses NorA. Boron-free analogues showed no biological activity, thus revealing that the boron atom is crucial for biological activity. This work describes the first reported efflux pump inhibitory activity of boronic acid derivatives.

Pyridone derivatives carrying radical moieties: Hydrogen-bonded structures, magnetic properties, and metal coordination

Ueda, Mikio,Mochida, Tomoyuki,Mori, Hatsumi

, p. 755 - 760 (2013/06/05)

Pyridone derivatives carrying radical moieties were prepared, namely a nitronyl nitroxide derivative 5-(4′,4′,5′,5′- tetramethylimidazoline-3′-oxide-1′-oxyl)-2(1H)-pyridone (1) and a verdazyl derivative 1,5-dimethyl-3-[2(1H)-pyridone]-6-oxoverdazyl (2). In the solid state, 1 and 2 form, via N-H?O intermolecular hydrogen bonds between the pyridone moieties, a zigzag one-dimensional chain structure and a cyclic dimer structure, respectively. These compounds exhibit antiferromagnetic intermolecular interactions. Mononuclear metal complexes [M(hfac) 2(1)2] (M = CuII, MnII; hfac = bis(hexafluoroacetylacetonate)) were prepared in which trans-[M(hfac) 2] are coordinated with the carbonyl oxygen of the pyridone ligands. Cyclic hydrogen bonds between the mononuclear units result in the formation of one-dimensional chains. Small antiferromagnetic (for CuII) and ferromagnetic (for MnII) exchange interactions between the metal ion and the ligands were observed.

PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME

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Page/Page column 66, (2009/04/24)

Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R1 represents hydrogen, halogen, amino, R11-NH- wherein R11 represents C1-6 alkyl, hydroxy C1-6 alkyl, C1-6 alkoxy C1-6 alkyl, or C1-6alkoxycarbonyl C1-6 alkyl, R12-(CO)-NH- wherein R12 represents C1-6 alkyl group or C1-6 alkoxy C1-6 alkyl, C1-6 alkyl, hydroxy C1-6 alkyl, cyano C1-6 alkyl, C1-6 alkoxy, or C1-6 alkoxy C1-6 alkyl or a phosphonoamino group; R2 represents hydrogen, C1-6 alkyl, amino, or a di C1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, -CH2O-, -OCH2-, -NH-, -CH2NH-, -NHCH2-, -CH2S-, or -SCH2-; R3 represents hydrogen or halogen or C1-6 alkyl, C3-8 cycloalkyl, C6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R4 represents hydrogen or halogen; provided that either R1 or R2 represents a phosphonoamino group.

Heterocycles substituted pyridine derivatives and antifungal agent containing thereof

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Page/Page column 63, (2010/11/27)

An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R1 represents a hydrogen atom, a halogen atom, an amino group, a C1-6 alkyl group, a C1-6 alkoxy group or a C1-6 alkoxy C1-6 alkyl group; R2 represents a hydrogen atom, a C1-6 alkyl group, an amino group or a di C1-6 alkylamino group; one of X and Y is a nitrogen atom while the other is a nitrogen atom or an oxygen atom; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom, or 1 or 2 C1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, a sulfur atom, —CH2O—, —OCH2—, —NH—, —CH2NH—, —NHCH2—, —CH2S—, or —SCH2—; R3 represents a hydrogen atom, a halogen atom, a C1-6 alkyl group, a C3-8 cycloalkyl group, a C6-10 aryl group, a 5- or 6-member heteroaryl group, or 5- or 6-member non-aromatic heterocyclic group which may have 1 or 2 substituents; and R4 represents a hydrogen atom or a halogen atom.

INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH

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Page/Page column 158, (2010/11/28)

Provided herein are compounds having TNFα and/or PDE4 and/or B-RAF inhibitory activity, and compositions thereof. In particular, provided herein are compounds of the formula (I) and pharmaceutically acceptable salts, solvates, hydrates, clathrates, stereoisomers, polymorphs and prodrugs thereof, wherein Ar, R1, R2, R3, R4, n and Z are as described herein. Further provided herein are methods for treating or preventing various diseases and disorders by administering to a patient one or more TNFα and/or PDE4 and/or B-RAF inhibitors. In particular, provided herein are methods for preventing or treating cancer, inflammatory disorders, cognition and memory disorders and autoimmune disorders, or one or more symptoms thereof by administering to a patient one or more TNFα and/or PDE4 and/or B-RAF inhibitors.

Calcitonin gene related peptide receptor antagonists

-

, (2008/06/13)

The present invention relates to compounds of Formula (I) as antagonists of calcitonin gene-related peptide receptors (“CGRP-receptor”), pharmaceutical compositions comprising them, methods for identifying them, methods of treatment using them and their use in therapy for treatment of neurogenic vasodilation, neurogenic inflammation, migraine and other headaches, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS

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Page 149, (2010/02/09)

Alpha substituted carboxylic acids of formula (I): wherein R' and R2 are as defined in the specification and R3 is A) formula (II); B) formula (III); C) formula (IV); and D) formula (V); wherein Y, Art, Are, AP, R4, R5, R6, R7, R6, R9, R9a, R10, R", R12, R17, ring A, and p are as defined in the specification; pharmaceutical compositions containing effective amounts of said compounds or their salts are useful for treating PPAR, specifically PPAR α/y related disorders, such as diabetes, dyslipidemia, obesity and inflammatory disorders.

CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS

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Page 169, (2010/02/04)

The presnt invention relates to compounds of Formula (I), as antagonists of calcitonin gene-related peptide receptors ("CGRP-receptor"), pharmaceutical compositions comprising them, methods for identifying them, methods of treatment using them and their use in therapy for treatment of neurogenic vasodilation, neurogenic inflammation, migraine and other headaches, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

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